Abstract
Torsional mechanics of single walled carbon nanotubes (SWCNTs) encapsulated with hydrogen molecules was investigated in this study, using the molecular dynamics (MD) simulation approach. The torsional properties of hydrogen stored SWCNTs were crucial for determining the durability and lifetime of SWNCTs-based energy storage and proton exchange membrane fuel cell (PEMFC) applications. The influence of hydrogen storage concentration, SWCNT geometry, vacancy defects, temperature variation and varying boundaries of rotated as well as fixed groups on the torsional mechanics of SWCNT was investigated. The results and conclusions provide an insight into the torsional properties of SWCNTs with hydrogen storage that could be used for the development of SWCNTs-based hydrogen storage devices and PEMFC applications.
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